SCHEMBL8767582

SCHEMBL8767582

Fc1cc(C2CCC(CCC3CCC(C4CCCC4)CC3)CC2)ccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.38
PDE4A P27815 7/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRL1 P41146 4/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR2 Q92731 2/20 0.32
HPGD P15428 1/20 0.32
PDE1C Q14123 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8767570 1.00 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL8767575 1.00 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL8767140 0.92 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL8767300 0.90 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL9060720 0.89 CYP2C9 (0.40) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL9225443 0.89 CYP2C9 (0.40) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL9225434 0.89 CYP2C9 (0.40) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL8411600 0.87 KDM1A (0.34) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL8379549 0.87 KDM1A (0.34) PDE4BPDE4APDE4CPDE4DPDE2A
SCHEMBL8411606 0.87 KDM1A (0.34) PDE4BPDE4APDE4CPDE4DPDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed